反铁磁性
正交晶系
基态
凝聚态物理
物理
国家(计算机科学)
电子结构
自旋(空气动力学)
点(几何)
密度泛函理论
材料科学
热力学
量子力学
计算机科学
算法
数学
几何学
衍射
作者
Warren E. Pickett,David J. Singh
出处
期刊:Physical review
日期:1996-03-15
卷期号:53 (11): 7550-7550
被引量:4
标识
DOI:10.1103/physrevb.53.7550
摘要
Pari et al. reported that local spin density approximation (LSDA) calculations failed to predict the insulating ground state for (cubic) ${\mathrm{LaMnO}}_{3}$. We point out that the observed antiferromagnetic state is insulating and is lower in energy than obvious competing phases when the distorted orthorhombic structure is taken into account. Thus there is no evident problem with the predictions of LSDA for this compound. \textcopyright{} 1996 The American Physical Society.
科研通智能强力驱动
Strongly Powered by AbleSci AI